SCHEMBL855260

SCHEMBL855260

CC(C)(C)CNC(=S)NCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 6/20 0.71
ALDH1A1 P00352 4/20 0.71
HPGD P15428 2/20 0.71
GAA P10253 4/20 0.69
MAPT P10636 4/20 0.69
POLB P06746 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
LMNA P02545 3/20 0.62
PKM P14618 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.59
PLA2G1B P04054 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59
THRB P10828 1/20 0.58
ALPL P05186 1/20 0.57
MAPK1 P28482 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
HTT P42858 1/20 0.57
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1275902 0.84 ALOX12 (1.00) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL7946650 0.83 CA9 (0.54) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL12049334 0.81 ALOX12 (0.72) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL11503706 0.80 RAB9A (0.70) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL11239091 0.79 ALOX12 (0.86) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL13701834 0.79 SMN1; SMN2 (0.64) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL21238633 0.77 ALOX12 (0.63) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL1396191 0.77 ALOX12 (0.76) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL18159147 0.76 ALOX12 (0.74) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL12203607 0.76 KMT2A (0.61) ALOX12ALDH1A1HPGDGAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-11-14 US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 US disclosed
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 US disclosed
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-03-10 US disclosed
US-7863288-B2 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON, INC. (US) 2011-01-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALOX12 3548/4885ALDH1A1 4348/4885HPGD 2589/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALOX12 3548/4885ALDH1A1 4348/4885HPGD 2589/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALOX12 3548/4885ALDH1A1 4348/4885HPGD 2589/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALOX12 3548/4885ALDH1A1 4348/4885HPGD 2589/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALOX12 3548/4885ALDH1A1 4348/4885HPGD 2589/4885
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALOX12 3548/4885ALDH1A1 4348/4885HPGD 2589/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALOX12 3548/4885ALDH1A1 4348/4885HPGD 2589/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALOX12 3548/4885ALDH1A1 4348/4885HPGD 2589/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.